3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]benzenecarbonitrile

Systemtic Name: 3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-3-nitro-benzonitrile CAS Name: 3-nitro-4-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]benzonitrile IUPAC Name: 3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]benzonitrile Traditional Name: 4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-3-nitro-benzonitrile Formula: C15H21N4O2+ MolecularWeight: 289.35284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O2/c1-11(2)18-7-5-13(6-8-18)17-14-4-3-12(10-16)9-15(14)19(20)21/h3-4,9,11,13,17H,5-8H2,1-2H3/p+1